175135-25-8
2-(ALLYLTHIO)NICOTINIC ACID
Name
2-(ALLYLTHIO)NICOTINIC ACID
Formula
C9 H9 N O2 S
MolWeight
195.241
1Identification
【Name】
2-(ALLYLTHIO)NICOTINIC ACID
【CAS】
【MDL】
MFCD00051681
【English Synonyms】
【Formula】
C9 H9 N O2 S
【MolWeight】
195.241
【Inchi】
InChI=1S/C9H9NO2S/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h2-5H,1,6H2,(H,11,12)
【InChIKey】
InChIKey=KSBMXXMQUGZNSF-UHFFFAOYSA-N
【SMILES】
C=CCSc1c(cccn1)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
ALFA AESAR, AVOCADO, LANCASTER :2-(ALLYLTHIO)NICOTINIC ACID
4CML File
2-(ALLYLTHIO)NICOTINIC ACID.cml
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